Text Search
Structure Search

methyl N-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]carbamate

methyl N-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]carbamate

CAS: 477852-83-8

Formula: C13H10Cl2N2O3

SMILES: COC(=O)NC1=CC(=CN1)C(=O)C1=C(Cl)C=C(Cl)C=C1

IUPAC: methyl N-[4-(2,4-dichlorobenzoyl)-1H-pyrrol-2-yl]carbamate

InChI: InChI=1S/C13H10Cl2N2O3/c1-20-13(19)17-11-4-7(6-16-11)12(18)9-3-2-8(14)5-10(9)15/h2-6,16H,1H3,(H,17,19)

Composition: C (49.86%), H (3.22%), Cl (22.64%), N (8.95%), O (15.33%)

Molar Mass: 313.13

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 312.0068476
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey KTVQTAAPFWRTHI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.74
Topological Polar Surface Area 71.19
Polarizability 29.13
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477852-83-8 $51.35-$86.31$51.35$63.37$86.31
Request Quote